N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitrobenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitrobenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-19(16-7-3-8-18(13-16)22(24)25)20-10-4-12-28(26,27)21-11-9-15-5-1-2-6-17(15)14-21/h1-3,5-8,13H,4,9-12,14H2,(H,20,23)