2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-esylpiperazino)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N4O4S/c1-2-30(28,29)24-13-11-22(12-14-24)19-7-8-20(25(26)27)21(15-19)23-10-9-17-5-3-4-6-18(17)16-23/h3-8,15H,2,9-14,16H2,1H3