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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)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

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