N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide hydrochloride

Systemtic Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide hydrochloride Openeye Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-yl-phenyl]-2-(2-thienyl)quinoline-4-carboxamide hydrochloride CAS Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-(1-pyrrolidinyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide hydrochloride IUPAC Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-2-thiophen-2-ylquinoline-4-carboxamide hydrochloride Traditional Name: N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidino-phenyl]-2-(2-thienyl)cinchoninamide hydrochloride Formula: C31H29ClN4O4S2 MolecularWeight: 621.16936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N6CCCC6.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N6CCCC6.Cl

InChI

InChI=1S/C31H28N4O4S2.ClH/c1-39-23-13-10-21(11-14-23)34-41(37,38)30-19-22(12-15-28(30)35-16-4-5-17-35)32-31(36)25-20-27(29-9-6-18-40-29)33-26-8-3-2-7-24(25)26;/h2-3,6-15,18-20,34H,4-5,16-17H2,1H3,(H,32,36);1H