N-(4-ethoxy-2-nitro-phenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-(2-naphthalenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-(2-naphthylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H25N3O6S MolecularWeight: 531.5796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H25N3O6S/c1-2-37-23-12-14-25(26(17-23)31(33)34)29-28(32)27-16-21-9-5-6-10-22(21)18-30(27)38(35,36)24-13-11-19-7-3-4-8-20(19)15-24/h3-15,17,27H,2,16,18H2,1H3,(H,29,32)