N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-benzamide Formula: C28H33N3O5S2 MolecularWeight: 555.70872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C)C

InChI

InChI=1S/C28H33N3O5S2/c1-20-9-11-25(18-22(20)3)30-37(33,34)27-19-23(10-8-21(27)2)28(32)29-24-12-14-26(15-13-24)38(35,36)31-16-6-4-5-7-17-31/h8-15,18-19,30H,4-7,16-17H2,1-3H3,(H,29,32)