ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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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)S(=O)(=O)C)CC(=O)OCC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CC(=O)OCC

InChI

InChI=1S/C26H31N3O7S3/c1-4-19-8-6-7-15-29(19)39(34,35)20-11-9-18(10-12-20)25(31)27-26-28(17-24(30)36-5-2)22-14-13-21(38(3,32)33)16-23(22)37-26/h9-14,16,19H,4-8,15,17H2,1-3H3