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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H30N2O3S2/c1-20-7-8-21(2)26(19-20)33-24-13-11-23(12-14-24)28-27(30)22-9-15-25(16-10-22)34(31,32)29-17-5-3-4-6-18-29/h7-16,19H,3-6,17-18H2,1-2H3,(H,28,30)