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

Systemtic Name: ethyl 3-[2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H32N4O7S3 MolecularWeight: 608.74988

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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)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)N)CCC(=O)OCC

InChI

InChI=1S/C26H32N4O7S3/c1-3-19-7-5-6-15-30(19)40(35,36)20-10-8-18(9-11-20)25(32)28-26-29(16-14-24(31)37-4-2)22-13-12-21(39(27,33)34)17-23(22)38-26/h8-13,17,19H,3-7,14-16H2,1-2H3,(H2,27,33,34)