N-[[4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methyl]-4-phenyl-butan-1-amine

Systemtic Name: N-[[4-methoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophen-5-yl]methyl]-4-phenyl-butan-1-amine Openeye Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydrobenzothiophen-5-yl]methyl]-4-phenyl-butan-1-amine CAS Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methyl]-4-phenyl-1-butanamine IUPAC Name: N-[[3-(benzenesulfonyl)-4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-yl]methyl]-4-phenylbutan-1-amine Traditional Name: (3-besyl-1,1-diketo-4-methoxy-2,3-dihydrobenzothiophen-5-yl)methyl-(4-phenylbutyl)amine Formula: C26H29NO5S2 MolecularWeight: 499.64216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)CNCCCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)CNCCCCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO5S2/c1-32-26-21(18-27-17-9-8-12-20-10-4-2-5-11-20)15-16-23-25(26)24(19-33(23,28)29)34(30,31)22-13-6-3-7-14-22/h2-7,10-11,13-16,24,27H,8-9,12,17-19H2,1H3