methyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(3-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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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=CC=CC=C4S3)CC(=O)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC(=O)OC

InChI

InChI=1S/C23H25N3O5S2/c1-16-6-5-13-25(14-16)33(29,30)18-11-9-17(10-12-18)22(28)24-23-26(15-21(27)31-2)19-7-3-4-8-20(19)32-23/h3-4,7-12,16H,5-6,13-15H2,1-2H3