N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzamido-4-methyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzamido-4-methyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzamido-4-methyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-benzamido-4-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzamido-4-methylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzamido-4-methyl-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-20-11-12-22(19-25(20)29-26(31)21-9-5-4-6-10-21)27(32)28-23-13-15-24(16-14-23)35(33,34)30-17-7-2-3-8-18-30/h4-6,9-16,19H,2-3,7-8,17-18H2,1H3,(H,28,32)(H,29,31)