N1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C18H30N2O4S2 MolecularWeight: 402.5718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2CCCC(C2C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C18H30N2O4S2/c1-5-20(6-2)26(23,24)17-12-10-16(11-13-17)25(21,22)19-18-9-7-8-14(3)15(18)4/h10-15,18-19H,5-9H2,1-4H3/t14-,15+,18+/m1/s1