N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-3-methyl-benzamide hydrochloride

Systemtic Name: N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-3-methyl-benzamide hydrochloride Openeye Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-3-methyl-benzamide hydrochloride CAS Name: N-(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)-3-methylbenzamide hydrochloride IUPAC Name: N-(2-amino-3-heptan-4-ylsulfonylpropanoyl)-3-methylbenzamide hydrochloride Traditional Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-3-methyl-benzamide hydrochloride Formula: C18H29ClN2O4S MolecularWeight: 404.95186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)C1=CC(=CC=C1)C)N.Cl

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)C1=CC(=CC=C1)C)N.Cl

InChI

InChI=1S/C18H28N2O4S.ClH/c1-4-7-15(8-5-2)25(23,24)12-16(19)18(22)20-17(21)14-10-6-9-13(3)11-14;/h6,9-11,15-16H,4-5,7-8,12,19H2,1-3H3,(H,20,21,22);1H