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

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-[(3-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(3-methylpiperidino)sulfonyl-benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S2/c1-14-4-3-11-24(13-14)32(29,30)17-8-5-15(6-9-17)20(26)22-21-23(2)18-10-7-16(25(27)28)12-19(18)31-21/h5-10,12,14H,3-4,11,13H2,1-2H3