1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C26H39N3O4S MolecularWeight: 489.67056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H39N3O4S/c30-25(27-20-14-23(15-21-27)26(31)28-16-4-1-2-5-17-28)13-10-22-8-11-24(12-9-22)34(32,33)29-18-6-3-7-19-29/h8-9,11-12,23H,1-7,10,13-21H2