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

Systemtic Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(2-ethylpiperidino)sulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H24N4O5S2 MolecularWeight: 512.60116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=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

CCC1CCCCN1S(=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/C24H24N4O5S2/c1-3-14-26-21-13-10-19(28(30)31)16-22(21)34-24(26)25-23(29)17-8-11-20(12-9-17)35(32,33)27-15-6-5-7-18(27)4-2/h1,8-13,16,18H,4-7,14-15H2,2H3