(4-nitrophenyl)methyl N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-ynyl-carbamate hydrochloride

Systemtic Name: (4-nitrophenyl)methyl N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-ynyl-carbamate hydrochloride Openeye Name: (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-prop-2-ynyl-carbamate hydrochloride CAS Name: N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-prop-2-ynylcarbamic acid (4-nitrophenyl)methyl ester hydrochloride IUPAC Name: (4-nitrophenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-ynylcarbamate hydrochloride Traditional Name: N-[1-[4-[besyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-propargyl-carbamic acid (4-nitrobenzyl) ester hydrochloride Formula: C33H39ClN4O6S MolecularWeight: 655.20396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)N(CC#C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CN(CC(CCN1CCC(CC1)N(CC#C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C33H38N4O6S.ClH/c1-3-21-36(33(38)43-26-27-14-16-31(17-15-27)37(39)40)30-19-23-35(24-20-30)22-18-29(28-10-6-4-7-11-28)25-34(2)44(41,42)32-12-8-5-9-13-32;/h1,4-17,29-30H,18-26H2,2H3;1H