N-[2-[bis(phenylmethyl)amino]-1-cyano-3-methyl-butyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[bis(phenylmethyl)amino]-1-cyano-3-methyl-butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-cyano-2-(dibenzylamino)-3-methyl-butyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[bis(phenylmethyl)amino]-1-cyano-3-methylbutyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-cyano-2-(dibenzylamino)-3-methylbutyl]-4-methylbenzenesulfonamide Traditional Name: N-[1-cyano-2-(dibenzylamino)-3-methyl-butyl]-4-methyl-benzenesulfonamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C#N)C(C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C#N)C(C(C)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O2S/c1-21(2)27(26(18-28)29-33(31,32)25-16-14-22(3)15-17-25)30(19-23-10-6-4-7-11-23)20-24-12-8-5-9-13-24/h4-17,21,26-27,29H,19-20H2,1-3H3