methyl 2-[6-butyl-2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-2-yl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-[1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-piperidinyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-[(5-chloro-2-thienyl)sulfonyl]pipecoloyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H28ClN3O5S3 MolecularWeight: 570.14422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC(=O)OC

InChI

InChI=1S/C24H28ClN3O5S3/c1-3-4-7-16-9-10-17-19(14-16)34-24(27(17)15-21(29)33-2)26-23(30)18-8-5-6-13-28(18)36(31,32)22-12-11-20(25)35-22/h9-12,14,18H,3-8,13,15H2,1-2H3