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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S.ClH/c1-4-6-15(7-5-2)25(23,24)12-16(19)18(22)20-17(21)14-10-8-13(3)9-11-14;/h8-11,15-16H,4-7,12,19H2,1-3H3,(H,20,21,22);1H