N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6S2/c1-13-4-3-9-24(12-13)33(29,30)16-7-5-14(6-8-16)20(26)23-21-22-19-17(31-2)10-15(25(27)28)11-18(19)32-21/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,23,26)