2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-5-pyrrolidinosulfonyl-benzamide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=C(C=C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=C(C=C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N2O3S2/c1-19-10-12-23(33(30,31)28-14-6-7-15-28)17-24(19)26(29)27-25-13-11-21(16-20(25)2)18-32-22-8-4-3-5-9-22/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3,(H,27,29)