2-ethylsulfonyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[2-(1H-indol-3-yl)-2-phenyl-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O3S/c1-2-35(33,34)31-19-22-13-7-6-12-21(22)16-27(31)28(32)30-17-24(20-10-4-3-5-11-20)25-18-29-26-15-9-8-14-23(25)26/h3-15,18,24,27,29H,2,16-17,19H2,1H3,(H,30,32)