S-[[3-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-2-(4-methoxyphenyl)butyl]amino] 3-sulfamoylbenzenecarbothioate

Systemtic Name: S-[[3-[(5-chloranyl-2-methoxy-phenyl)carbonylamino]-2-(4-methoxyphenyl)butyl]amino] 3-sulfamoylbenzenecarbothioate Openeye Name: S-[[3-[(5-chloro-2-methoxy-benzoyl)amino]-2-(4-methoxyphenyl)butyl]amino] 3-sulfamoylbenzenecarbothioate CAS Name: 3-sulfamoylbenzenecarbothioic acid S-[[3-[[(5-chloro-2-methoxyphenyl)-oxomethyl]amino]-2-(4-methoxyphenyl)butyl]amino] ester IUPAC Name: S-[[3-[(5-chloro-2-methoxybenzoyl)amino]-2-(4-methoxyphenyl)butyl]amino] 3-sulfamoylbenzenecarbothioate Traditional Name: 3-sulfamoylthiobenzoic acid S-[[3-[(5-chloro-2-methoxy-benzoyl)amino]-2-(4-methoxyphenyl)butyl]amino] ester Formula: C26H28ClN3O6S2 MolecularWeight: 578.10002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CNSC(=O)C1=CC(=CC=C1)S(=O)(=O)N)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC(C(CNSC(=O)C1=CC(=CC=C1)S(=O)(=O)N)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C26H28ClN3O6S2/c1-16(30-25(31)22-14-19(27)9-12-24(22)36-3)23(17-7-10-20(35-2)11-8-17)15-29-37-26(32)18-5-4-6-21(13-18)38(28,33)34/h4-14,16,23,29H,15H2,1-3H3,(H,30,31)(H2,28,33,34)