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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(1-piperidylsulfonylmethyl)benzamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(1-piperidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-(piperidinosulfonylmethyl)benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H30N2O3S2/c1-21-18-23(19-33-25-8-4-2-5-9-25)12-15-26(21)28-27(30)24-13-10-22(11-14-24)20-34(31,32)29-16-6-3-7-17-29/h2,4-5,8-15,18H,3,6-7,16-17,19-20H2,1H3,(H,28,30)