(3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-nosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C16H15N3O5S/c17-16(20)15-9-11-3-1-2-4-12(11)10-18(15)25(23,24)14-7-5-13(6-8-14)19(21)22/h1-8,15H,9-10H2,(H2,17,20)/t15-/m0/s1