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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O4S/c31-30(32)25-11-10-24(18-26(25)28-13-12-22-8-4-5-9-23(22)19-28)27-14-16-29(17-15-27)35(33,34)20-21-6-2-1-3-7-21/h1-11,18H,12-17,19-20H2