4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(2-phenylpyrazol-3-yl)benzamide

Systemtic Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(2-phenylpyrazol-3-yl)benzamide Openeye Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(2-phenylpyrazol-3-yl)benzamide CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]-N-(2-phenyl-3-pyrazolyl)benzamide IUPAC Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(2-phenylpyrazol-3-yl)benzamide Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]-N-(2-phenylpyrazol-3-yl)benzamide Formula: C29H28ClN5O4S MolecularWeight: 578.08172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=NN3C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN5O4S/c30-23-13-15-25(16-14-23)40(38,39)34(26-8-4-5-18-31-29(26)37)20-21-9-11-22(12-10-21)28(36)33-27-17-19-32-35(27)24-6-2-1-3-7-24/h1-3,6-7,9-17,19,26H,4-5,8,18,20H2,(H,31,37)(H,33,36)