3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperidin-1-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperidin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenyl-1-piperidyl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(4-phenyl-1-piperidinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperidin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-phenylpiperidino)propan-1-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3S/c29-26(27-20-16-24(17-21-27)23-8-4-3-5-9-23)15-12-22-10-13-25(14-11-22)32(30,31)28-18-6-1-2-7-19-28/h3-5,8-11,13-14,24H,1-2,6-7,12,15-21H2