N-(3,4-dimethylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(3,4-dimethylphenyl)-4-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(3,4-dimethylphenyl)-4-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(3,4-dimethylphenyl)-4-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4)C

InChI

InChI=1S/C25H29N3O3S2/c1-19-6-9-22(17-20(19)2)26-33(30,31)24-10-7-21(8-11-24)25(29)28-13-4-12-27(14-15-28)18-23-5-3-16-32-23/h3,5-11,16-17,26H,4,12-15,18H2,1-2H3