3-[(3,3-dimethylcyclohexyl)amino]-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-[(3,3-dimethylcyclohexyl)amino]-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-[(3,3-dimethylcyclohexyl)amino]-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-[(3,3-dimethylcyclohexyl)amino]-N-[3-(1-imidazolyl)propyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-[(3,3-dimethylcyclohexyl)amino]-N-(3-imidazol-1-ylpropyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-[(3,3-dimethylcyclohexyl)amino]-N-(3-imidazol-1-ylpropyl)-5-pyrrolidinosulfonyl-benzamide Formula: C25H37N5O3S MolecularWeight: 487.65798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1)NC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1(CCCC(C1)NC2=CC(=CC(=C2)C(=O)NCCCN3C=CN=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H37N5O3S/c1-25(2)8-5-7-21(18-25)28-22-15-20(24(31)27-9-6-11-29-14-10-26-19-29)16-23(17-22)34(32,33)30-12-3-4-13-30/h10,14-17,19,21,28H,3-9,11-13,18H2,1-2H3,(H,27,31)