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

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

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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-])CC#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-])CC#C

InChI

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