(phenylmethyl) N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)carbamate hydrochloride

Systemtic Name: (phenylmethyl) N-(2-azanyl-3-heptan-4-ylsulfonyl-propanoyl)carbamate hydrochloride Openeye Name: benzyl N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]carbamate hydrochloride CAS Name: N-(2-amino-3-heptan-4-ylsulfonyl-1-oxopropyl)carbamic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N-(2-amino-3-heptan-4-ylsulfonylpropanoyl)carbamate hydrochloride Traditional Name: N-[2-amino-3-(1-propylbutylsulfonyl)propanoyl]carbamic acid benzyl ester 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)OCC1=CC=CC=C1)N.Cl

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)OCC1=CC=CC=C1)N.Cl

InChI

InChI=1S/C18H28N2O5S.ClH/c1-3-8-15(9-4-2)26(23,24)13-16(19)17(21)20-18(22)25-12-14-10-6-5-7-11-14;/h5-7,10-11,15-16H,3-4,8-9,12-13,19H2,1-2H3,(H,20,21,22);1H