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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCN(CC1)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/c1-13-7-9-24(10-8-13)33(29,30)16-5-3-14(4-6-16)20(26)23-21-22-19-17(31-2)11-15(25(27)28)12-18(19)32-21/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,26)