4-[[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-(1H-indol-3-yl)methyl]sulfonylbenzamide

Systemtic Name: 4-[[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-(1H-indol-3-yl)methyl]sulfonylbenzamide Openeye Name: 4-[[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-(1H-indol-3-yl)methyl]sulfonylbenzamide CAS Name: 4-[[3-cyano-3-[(3-cyclohexyl-1-oxopropyl)amino]-1-pyrrolidinyl]-(1H-indol-3-yl)methyl]sulfonylbenzamide IUPAC Name: 4-[[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-(1H-indol-3-yl)methyl]sulfonylbenzamide Traditional Name: 4-[[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidino]-(1H-indol-3-yl)methyl]sulfonylbenzamide Formula: C30H35N5O4S MolecularWeight: 561.695

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2(CCN(C2)C(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)C(=O)N)C#N

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC2(CCN(C2)C(C3=CNC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)C(=O)N)C#N

InChI

InChI=1S/C30H35N5O4S/c31-19-30(34-27(36)15-10-21-6-2-1-3-7-21)16-17-35(20-30)29(25-18-33-26-9-5-4-8-24(25)26)40(38,39)23-13-11-22(12-14-23)28(32)37/h4-5,8-9,11-14,18,21,29,33H,1-3,6-7,10,15-17,20H2,(H2,32,37)(H,34,36)