methyl 2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H25N3O5S2 MolecularWeight: 511.6131

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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)C(=O)OC)CC#C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

InChI

InChI=1S/C25H25N3O5S2/c1-4-14-27-21-13-10-19(24(30)33-3)16-22(21)34-25(27)26-23(29)18-8-11-20(12-9-18)35(31,32)28-15-6-5-7-17(28)2/h1,8-13,16-17H,5-7,14-15H2,2-3H3