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

Systemtic Name: 4-chloranyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3-nitro-benzamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O5S/c20-17-7-6-15(12-18(17)23(25)26)19(24)21-9-3-11-29(27,28)22-10-8-14-4-1-2-5-16(14)13-22/h1-2,4-7,12H,3,8-11,13H2,(H,21,24)