2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-p-phenetylsulfonylpiperazino)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H27N3O5S2/c1-2-29-20-7-9-21(10-8-20)30(25,26)22-13-15-23(16-14-22)31(27,28)24-12-11-18-5-3-4-6-19(18)17-24/h3-10H,2,11-17H2,1H3