4-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2,5-dimethylphenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2,5-dimethylphenyl)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-7-8-17(2)20(15-16)22-21(24)18-9-11-19(12-10-18)27(25,26)23-13-5-3-4-6-14-23/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)