1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c1-13-2-5-16(6-3-13)31(28,29)23-10-8-14(9-11-23)19(25)22-20-21-17-7-4-15(24(26)27)12-18(17)30-20/h2-7,12,14H,8-11H2,1H3,(H,21,22,25)