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

Systemtic Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-methyl-4-[(phenylthio)methyl]phenyl]-5-piperidinosulfonyl-benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=C(C=C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=C(C=C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O3S2/c1-20-11-13-24(34(31,32)29-15-7-4-8-16-29)18-25(20)27(30)28-26-14-12-22(17-21(26)2)19-33-23-9-5-3-6-10-23/h3,5-6,9-14,17-18H,4,7-8,15-16,19H2,1-2H3,(H,28,30)