N-[3-cyano-4,5-diphenyl-1-(phenylmethyl)pyrrol-2-yl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[3-cyano-4,5-diphenyl-1-(phenylmethyl)pyrrol-2-yl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-(1-benzyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-[3-cyano-4,5-diphenyl-1-(phenylmethyl)-2-pyrrolyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-(1-benzyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)-4-methyl-N-tosyl-benzenesulfonamide Formula: C38H31N3O4S2 MolecularWeight: 657.80044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)S(=O)(=O)C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C(C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)S(=O)(=O)C6=CC=C(C=C6)C

InChI

InChI=1S/C38H31N3O4S2/c1-28-18-22-33(23-19-28)46(42,43)41(47(44,45)34-24-20-29(2)21-25-34)38-35(26-39)36(31-14-8-4-9-15-31)37(32-16-10-5-11-17-32)40(38)27-30-12-6-3-7-13-30/h3-25H,27H2,1-2H3