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

Systemtic Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[(2-methyl-1-piperidyl)sulfonyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(2-methylpiperidino)sulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H22N4O5S2 MolecularWeight: 498.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O5S2/c1-3-13-25-20-12-9-18(27(29)30)15-21(20)33-23(25)24-22(28)17-7-10-19(11-8-17)34(31,32)26-14-5-4-6-16(26)2/h1,7-12,15-16H,4-6,13-14H2,2H3