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

Systemtic Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H29N3O5S2 MolecularWeight: 515.64486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC(=O)OCC

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)CC(=O)OCC

InChI

InChI=1S/C25H29N3O5S2/c1-3-19-9-7-8-16-28(19)35(31,32)20-14-12-18(13-15-20)24(30)26-25-27(17-23(29)33-4-2)21-10-5-6-11-22(21)34-25/h5-6,10-15,19H,3-4,7-9,16-17H2,1-2H3