N-[4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C27H29N5O5S MolecularWeight: 535.61466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N5O5S/c1-20(33)28-23-6-9-25(10-7-23)38(36,37)31-16-14-29(15-17-31)24-8-11-26(32(34)35)27(18-24)30-13-12-21-4-2-3-5-22(21)19-30/h2-11,18H,12-17,19H2,1H3,(H,28,33)