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

Systemtic Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[4-[ethyl(isopropyl)amino]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-[ethyl(isopropyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC)C(C)C

InChI

InChI=1S/C23H31N3O3S/c1-5-25(17(3)4)21-13-11-20(12-14-21)24-23(27)22-15-18-9-7-8-10-19(18)16-26(22)30(28,29)6-2/h7-14,17,22H,5-6,15-16H2,1-4H3,(H,24,27)