ethyl 4-[4-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[methyl-[(2-nitrophenyl)methyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[methyl-[(2-nitrophenyl)methyl]amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[methyl-(2-nitrobenzyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O7S/c1-3-33-23(28)18-8-10-20(11-9-18)34(31,32)25-14-12-17(13-15-25)22(27)24(2)16-19-6-4-5-7-21(19)26(29)30/h4-11,17H,3,12-16H2,1-2H3