methyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(3-methylpiperidino)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O7S/c1-14-4-3-9-23(13-14)32(29,30)19-7-5-17(6-8-19)22-20(25)15-10-16(21(26)31-2)12-18(11-15)24(27)28/h5-8,10-12,14H,3-4,9,13H2,1-2H3,(H,22,25)