N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-3-[(6-methoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-3-[(6-methoxy-1H-benzimidazol-2-yl)thio]propionamide Formula: C21H23ClN4O4S2 MolecularWeight: 495.01472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN4O4S2/c1-30-14-4-7-17-19(12-14)25-21(24-17)31-11-8-20(27)23-18-13-15(5-6-16(18)22)32(28,29)26-9-2-3-10-26/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,27)(H,24,25)