N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(2-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(2-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-[(2-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-[(2-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(2-methylpiperidino)sulfonyl-benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S2/c1-14-5-3-4-12-24(14)32(29,30)17-9-6-15(7-10-17)20(26)22-21-23(2)18-13-16(25(27)28)8-11-19(18)31-21/h6-11,13-14H,3-5,12H2,1-2H3