1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N2O3S2/c1-18-14-17-25(21-6-2-3-7-22(21)29-18)23(26)13-10-19-8-11-20(12-9-19)30(27,28)24-15-4-5-16-24/h2-3,6-9,11-12,18H,4-5,10,13-17H2,1H3