ethyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(3,5-dimethylpiperidino)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:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C26H32N4O7S3/c1-4-37-24(31)11-12-30-22-10-9-21(39(27,33)34)14-23(22)38-26(30)28-25(32)19-5-7-20(8-6-19)40(35,36)29-15-17(2)13-18(3)16-29/h5-10,14,17-18H,4,11-13,15-16H2,1-3H3,(H2,27,33,34)