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

Systemtic Name: N-methyl-N-propan-2-yl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-isopropyl-N-methyl-3-[4-(2-thienylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-methyl-N-propan-2-yl-3-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-isopropyl-N-methyl-3-[4-(2-thenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)N(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-17(2)22(3)29(26,27)20-9-4-7-18(15-20)21(25)24-11-6-10-23(12-13-24)16-19-8-5-14-28-19/h4-5,7-9,14-15,17H,6,10-13,16H2,1-3H3