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

Systemtic Name: 2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-nitro-5-(4-tosylpiperazino)phenyl]-3,4-dihydro-1H-isoquinoline Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H28N4O4S/c1-20-6-9-24(10-7-20)35(33,34)29-16-14-27(15-17-29)23-8-11-25(30(31)32)26(18-23)28-13-12-21-4-2-3-5-22(21)19-28/h2-11,18H,12-17,19H2,1H3