[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-(3-methylbutyl)azanium

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]-cyclopropyl-(3-methylbutyl)azanium Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]-cyclopropyl-isopentyl-ammonium CAS Name: [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-cyclopropyl-(3-methylbutyl)ammonium IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]-cyclopropyl-(3-methylbutyl)azanium Traditional Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]-cyclopropyl-isoamyl-ammonium Formula: C23H38N3O4S+ MolecularWeight: 452.63052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CC3

Isomeric SMILES

CC(C)CC[NH+](CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)C3CC3

InChI

InChI=1S/C23H37N3O4S/c1-18(2)12-15-25(19-8-9-19)17-23(27)24-21-16-20(10-11-22(21)30-3)31(28,29)26-13-6-4-5-7-14-26/h10-11,16,18-19H,4-9,12-15,17H2,1-3H3,(H,24,27)/p+1