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

Systemtic Name: N-(3-chlorophenyl)-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-(3-chlorophenyl)-3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-(3-chlorophenyl)-3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]benzenesulfonamide IUPAC Name: N-(3-chlorophenyl)-3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(3-chlorophenyl)-3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CS4

InChI

InChI=1S/C23H24ClN3O3S2/c24-19-6-2-7-20(16-19)25-32(29,30)22-9-1-5-18(15-22)23(28)27-11-4-10-26(12-13-27)17-21-8-3-14-31-21/h1-3,5-9,14-16,25H,4,10-13,17H2