N1-[(1S)-1-cyano-1-cyclopropyl-ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[(1S)-1-cyano-1-cyclopropyl-ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide Openeye Name: N1-[(1S)-1-cyano-1-cyclopropyl-ethyl]-N4,N4-diethyl-benzene-1,4-disulfonamide CAS Name: N1-[(1S)-1-cyano-1-cyclopropylethyl]-N4,N4-diethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[(1S)-1-cyano-1-cyclopropylethyl]-4-N,4-N-diethylbenzene-1,4-disulfonamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-N',N'-diethyl-benzene-1,4-disulfonamide Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C16H23N3O4S2/c1-4-19(5-2)25(22,23)15-10-8-14(9-11-15)24(20,21)18-16(3,12-17)13-6-7-13/h8-11,13,18H,4-7H2,1-3H3/t16-/m1/s1