4-(azepan-1-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-pyrrolidino-phenyl]-3-nitro-benzamide Formula: C29H32ClN5O5S MolecularWeight: 598.11288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCCC4)S(=O)(=O)NC5=CC=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N4CCCC4)S(=O)(=O)NC5=CC=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C29H32ClN5O5S/c30-23-9-3-4-10-24(23)32-41(39,40)28-20-22(12-14-26(28)34-17-7-8-18-34)31-29(36)21-11-13-25(27(19-21)35(37)38)33-15-5-1-2-6-16-33/h3-4,9-14,19-20,32H,1-2,5-8,15-18H2,(H,31,36)