N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-methyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N(C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N(C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O5S2/c1-14-7-8-16(25(27)28)13-19(14)32(29,30)24-11-9-15(10-12-24)20(26)23(2)21-22-17-5-3-4-6-18(17)31-21/h3-8,13,15H,9-12H2,1-2H3