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

Systemtic Name: N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-4-methoxy-benzamide hydrochloride Openeye Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-4-methoxy-benzamide hydrochloride CAS Name: N-(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)-4-methoxybenzamide hydrochloride IUPAC Name: N-(2-amino-3-heptan-4-ylsulfonylpropanoyl)-4-methoxybenzamide hydrochloride Traditional Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-4-methoxy-benzamide hydrochloride Formula: C18H29ClN2O5S MolecularWeight: 420.95126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S.ClH/c1-4-6-15(7-5-2)26(23,24)12-16(19)18(22)20-17(21)13-8-10-14(25-3)11-9-13;/h8-11,15-16H,4-7,12,19H2,1-3H3,(H,20,21,22);1H