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

Systemtic Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(4-ethoxybenzyl)piperazino]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3O3S/c1-2-28-22-9-7-19(8-10-22)17-23-13-15-24(16-14-23)29(26,27)25-12-11-20-5-3-4-6-21(20)18-25/h3-10H,2,11-18H2,1H3