N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-3-pyrrolidinosulfonyl-benzamide Formula: C26H23Cl2N3O3S MolecularWeight: 528.45012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl)C(C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23Cl2N3O3S/c1-17-13-22(23(16-29)18-7-9-20(27)10-8-18)24(28)15-25(17)30-26(32)19-5-4-6-21(14-19)35(33,34)31-11-2-3-12-31/h4-10,13-15,23H,2-3,11-12H2,1H3,(H,30,32)