5-[[8-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]-pyrrolidin-2-yl-amino]cyclohexa-2,4-dien-1-one

Systemtic Name: 5-[[8-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3-oxidanyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]-pyrrolidin-2-yl-amino]cyclohexa-2,4-dien-1-one Openeye Name: 5-[[3-hydroxy-8-[(4-methoxyphenyl)methyl]-2,2-dimethyl-6-(1-piperidylsulfonyl)chroman-4-yl]-pyrrolidin-2-yl-amino]cyclohexa-2,4-dien-1-one CAS Name: 5-[[3-hydroxy-8-[(4-methoxyphenyl)methyl]-2,2-dimethyl-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-(2-pyrrolidinyl)amino]-1-cyclohexa-2,4-dienone IUPAC Name: 5-[[3-hydroxy-8-[(4-methoxyphenyl)methyl]-2,2-dimethyl-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-4-yl]-pyrrolidin-2-ylamino]cyclohexa-2,4-dien-1-one Traditional Name: 5-[(3-hydroxy-2,2-dimethyl-8-p-anisyl-6-piperidinosulfonyl-chroman-4-yl)-pyrrolidin-2-yl-amino]cyclohexa-2,4-dien-1-one Formula: C34H43N3O6S MolecularWeight: 621.78672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC(=CC(=C2O1)CC3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCC4)N(C5CCCN5)C6=CC=CC(=O)C6)O)C

Isomeric SMILES

CC1(C(C(C2=CC(=CC(=C2O1)CC3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCC4)N(C5CCCN5)C6=CC=CC(=O)C6)O)C

InChI

InChI=1S/C34H43N3O6S/c1-34(2)33(39)31(37(30-11-8-16-35-30)25-9-7-10-26(38)21-25)29-22-28(44(40,41)36-17-5-4-6-18-36)20-24(32(29)43-34)19-23-12-14-27(42-3)15-13-23/h7,9-10,12-15,20,22,30-31,33,35,39H,4-6,8,11,16-19,21H2,1-3H3