8-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine

Systemtic Name: 8-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine Openeye Name: 8-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine CAS Name: 8-(4-ethylsulfonyl-1-piperazinyl)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine IUPAC Name: 8-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine Traditional Name: 8-(4-esylpiperazino)-2-methyl-5-phenoxy-1,3,4,5-tetrahydro-2-benzazepine Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(CCN(C3)C)OC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(CCN(C3)C)OC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S/c1-3-30(27,28)26-15-13-25(14-16-26)20-9-10-22-19(17-20)18-24(2)12-11-23(22)29-21-7-5-4-6-8-21/h4-10,17,23H,3,11-16,18H2,1-2H3