ethyl (3S,4S)-3-methyl-4-[[4-[(2-methylphenyl)carbonylamino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl (3S,4S)-3-methyl-4-[[4-[(2-methylphenyl)carbonylamino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: ethyl (3S,4S)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]-1-naphthyl]sulfonylamino]piperidine-1-carboxylate CAS Name: (3S,4S)-3-methyl-4-[[4-[[(2-methylphenyl)-oxomethyl]amino]-1-naphthalenyl]sulfonylamino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate Traditional Name: (3S,4S)-3-methyl-4-[[4-(o-toluoylamino)-1-naphthyl]sulfonylamino]piperidine-1-carboxylic acid ethyl ester Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C1)C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)N1CC[C@@H]([C@H](C1)C)NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O5S/c1-4-35-27(32)30-16-15-23(19(3)17-30)29-36(33,34)25-14-13-24(21-11-7-8-12-22(21)25)28-26(31)20-10-6-5-9-18(20)2/h5-14,19,23,29H,4,15-17H2,1-3H3,(H,28,31)/t19-,23-/m0/s1