1-[5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one

Systemtic Name: 1-[5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one Openeye Name: 1-[5-methylsulfonyl-4-(4-phenyl-1-piperidyl)-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one CAS Name: 1-[5-methylsulfonyl-4-(4-phenyl-1-piperidinyl)-2-[2-(1-pyrrolidinyl)ethylamino]phenyl]-1-hexanone IUPAC Name: 1-[5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one Traditional Name: 1-[5-mesyl-4-(4-phenylpiperidino)-2-(2-pyrrolidinoethylamino)phenyl]hexan-1-one Formula: C30H43N3O3S MolecularWeight: 525.74572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1NCCN2CCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1NCCN2CCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C30H43N3O3S/c1-3-4-6-13-29(34)26-22-30(37(2,35)36)28(23-27(26)31-16-21-32-17-9-10-18-32)33-19-14-25(15-20-33)24-11-7-5-8-12-24/h5,7-8,11-12,22-23,25,31H,3-4,6,9-10,13-21H2,1-2H3