N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H28N2O4S2/c1-14-6-5-7-18(15(14)2)19-25(21,22)16-8-10-17(11-9-16)26(23,24)20-12-3-4-13-20/h8-11,14-15,18-19H,3-7,12-13H2,1-2H3/t14-,15+,18+/m0/s1