N1,N1-dimethyl-N2-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ylsulfonyl-benzene-1,2-diamine

Systemtic Name: N1,N1-dimethyl-N2-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ylsulfonyl-benzene-1,2-diamine Openeye Name: N1,N1-dimethyl-N2-[(4-methylsulfanylphenyl)methyl]-4-(1-piperidylsulfonyl)benzene-1,2-diamine CAS Name: N1,N1-dimethyl-N2-[[4-(methylthio)phenyl]methyl]-4-(1-piperidinylsulfonyl)benzene-1,2-diamine IUPAC Name: 1-N,1-N-dimethyl-2-N-[(4-methylsulfanylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzene-1,2-diamine Traditional Name: dimethyl-[2-[[4-(methylthio)benzyl]amino]-4-piperidinosulfonyl-phenyl]amine Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H29N3O2S2/c1-23(2)21-12-11-19(28(25,26)24-13-5-4-6-14-24)15-20(21)22-16-17-7-9-18(27-3)10-8-17/h7-12,15,22H,4-6,13-14,16H2,1-3H3