methyl 5-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]benzoate Openeye Name: methyl 5-nitro-2-[[4-(1-piperidylsulfonyl)phenyl]methylamino]benzoate CAS Name: 5-nitro-2-[[4-(1-piperidinylsulfonyl)phenyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]benzoate Traditional Name: 5-nitro-2-[(4-piperidinosulfonylbenzyl)amino]benzoic acid methyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O6S/c1-29-20(24)18-13-16(23(25)26)7-10-19(18)21-14-15-5-8-17(9-6-15)30(27,28)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14H2,1H3