N-[2-[butan-2-yl(thiophen-2-ylmethyl)amino]ethyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Systemtic Name: N-[2-[butan-2-yl(thiophen-2-ylmethyl)amino]ethyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Openeye Name: 2-oxo-N-[2-[sec-butyl(2-thienylmethyl)amino]ethyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide CAS Name: N-[2-[butan-2-yl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide IUPAC Name: N-[2-[butan-2-yl(thiophen-2-ylmethyl)amino]ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Traditional Name: 2-keto-N-[2-[sec-butyl(2-thenyl)amino]ethyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCNS(=O)(=O)C1=CC2=C(C=C1)NC(=O)CCC2)CC3=CC=CS3

Isomeric SMILES

CCC(C)N(CCNS(=O)(=O)C1=CC2=C(C=C1)NC(=O)CCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-3-16(2)24(15-18-7-5-13-28-18)12-11-22-29(26,27)19-9-10-20-17(14-19)6-4-8-21(25)23-20/h5,7,9-10,13-14,16,22H,3-4,6,8,11-12,15H2,1-2H3,(H,23,25)