5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3-methoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxamide Formula: C31H31ClN2O6S MolecularWeight: 595.10564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)N)C(=O)C3CCCCC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

InChI

InChI=1S/C31H31ClN2O6S/c1-38-20-9-5-8-18(14-20)25-26(29(35)23-12-13-24(32)41-23)27(19-10-11-21-22(15-19)40-16-39-21)34(28(25)30(33)36)31(37)17-6-3-2-4-7-17/h5,8-15,17,25-28H,2-4,6-7,16H2,1H3,(H2,33,36)