2-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-yl-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-thienyl)ethyl]-4-nitro-benzamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)[C@@H](CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CS4

InChI

InChI=1S/C22H20ClN3O3S/c23-19-12-17(26(28)29)7-8-18(19)22(27)24-13-20(21-6-3-11-30-21)25-10-9-15-4-1-2-5-16(15)14-25/h1-8,11-12,20H,9-10,13-14H2,(H,24,27)/t20-/m0/s1