3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-5-methylsulfonyl-benzimidazol-2-one

Systemtic Name: 3-(2-azanylethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-5-methylsulfonyl-benzimidazol-2-one Openeye Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-5-methylsulfonyl-benzimidazol-2-one CAS Name: 3-(2-aminoethyl)-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-5-methylsulfonyl-2-benzimidazolone IUPAC Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-5-methylsulfonylbenzimidazol-2-one Traditional Name: 3-(2-aminoethyl)-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-5-mesyl-benzimidazol-2-one Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=C(C=C(C=C3)S(=O)(=O)C)N(C2=O)CCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=C(C=C(C=C3)S(=O)(=O)C)N(C2=O)CCN)C(C)C

InChI

InChI=1S/C21H31N3O4S/c1-13(2)16-7-5-14(3)11-17(16)20(25)24-18-8-6-15(29(4,27)28)12-19(18)23(10-9-22)21(24)26/h6,8,12-14,16-17H,5,7,9-11,22H2,1-4H3/t14-,16+,17-/m1/s1