3-bromanylpropyl 4-[[4-[(2-methylphenyl)carbonylamino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate

Systemtic Name: 3-bromanylpropyl 4-[[4-[(2-methylphenyl)carbonylamino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: 3-bromopropyl 4-[[4-[(2-methylbenzoyl)amino]-1-naphthyl]sulfonylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(2-methylphenyl)-oxomethyl]amino]-1-naphthalenyl]sulfonylamino]-1-piperidinecarboxylic acid 3-bromopropyl ester IUPAC Name: 3-bromopropyl 4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-(o-toluoylamino)-1-naphthyl]sulfonylamino]piperidine-1-carboxylic acid 3-bromopropyl ester Formula: C27H30BrN3O5S MolecularWeight: 588.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)NC4CCN(CC4)C(=O)OCCCBr

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)NC4CCN(CC4)C(=O)OCCCBr

InChI

InChI=1S/C27H30BrN3O5S/c1-19-7-2-3-8-21(19)26(32)29-24-11-12-25(23-10-5-4-9-22(23)24)37(34,35)30-20-13-16-31(17-14-20)27(33)36-18-6-15-28/h2-5,7-12,20,30H,6,13-18H2,1H3,(H,29,32)