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

Systemtic Name: N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)-4-(trifluoromethyl)benzamide hydrochloride Openeye Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-4-(trifluoromethyl)benzamide hydrochloride CAS Name: N-(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)-4-(trifluoromethyl)benzamide hydrochloride IUPAC Name: N-(2-amino-3-heptan-4-ylsulfonylpropanoyl)-4-(trifluoromethyl)benzamide hydrochloride Traditional Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]-4-(trifluoromethyl)benzamide hydrochloride Formula: C18H26ClF3N2O4S MolecularWeight: 458.92325

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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)C(F)(F)F)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H25F3N2O4S.ClH/c1-3-5-14(6-4-2)28(26,27)11-15(22)17(25)23-16(24)12-7-9-13(10-8-12)18(19,20)21;/h7-10,14-15H,3-6,11,22H2,1-2H3,(H,23,24,25);1H