methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]hexanoate

Systemtic Name: methyl 6-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]hexanoate Openeye Name: methyl 6-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]hexanoate CAS Name: 6-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]hexanoate Traditional Name: 6-[4-(3-methylpiperidino)sulfonyl-2-nitro-anilino]hexanoic acid methyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6S/c1-15-7-6-12-21(14-15)29(26,27)16-9-10-17(18(13-16)22(24)25)20-11-5-3-4-8-19(23)28-2/h9-10,13,15,20H,3-8,11-12,14H2,1-2H3