2,5-dimethyl-N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]phenyl]benzenesulfonamide Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

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