methyl 3-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[4-[(2-ethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(2-ethylpiperidino)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C25H30N4O7S3 MolecularWeight: 594.7233

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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)N)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O7S3/c1-3-18-6-4-5-14-29(18)39(34,35)19-9-7-17(8-10-19)24(31)27-25-28(15-13-23(30)36-2)21-12-11-20(38(26,32)33)16-22(21)37-25/h7-12,16,18H,3-6,13-15H2,1-2H3,(H2,26,32,33)