4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-1,2,5-trimethyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(1-benzyl-4-piperidyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-1,2,5-trimethyl-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(1-benzylpiperidin-4-yl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(1-benzyl-4-piperidyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C26H38N4O3S MolecularWeight: 486.66992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H38N4O3S/c1-20-24(26(31)30-15-9-4-5-10-16-30)25(21(2)28(20)3)34(32,33)27-23-13-17-29(18-14-23)19-22-11-7-6-8-12-22/h6-8,11-12,23,27H,4-5,9-10,13-19H2,1-3H3