azepan-1-ylsulfonyl-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]-propyl-azanium

Systemtic Name: azepan-1-ylsulfonyl-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]-propyl-azanium Openeye Name: azepan-1-ylsulfonyl-[(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl]-propyl-ammonium CAS Name: 1-azepanylsulfonyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylammonium IUPAC Name: azepan-1-ylsulfonyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium Traditional Name: azepan-1-ylsulfonyl-[(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl]-propyl-ammonium Formula: C18H29ClN3O3S+ MolecularWeight: 402.95916

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](C(C)C(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC[NH+]([C@H](C)C(=O)NC1=CC(=CC=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28ClN3O3S/c1-3-11-22(26(24,25)21-12-6-4-5-7-13-21)15(2)18(23)20-17-10-8-9-16(19)14-17/h8-10,14-15H,3-7,11-13H2,1-2H3,(H,20,23)/p+1/t15-/m1/s1