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

Systemtic Name: 2-[5-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C23H23ClN4O4S2 MolecularWeight: 519.03612

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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)C5=CC=C(S5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(S5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H23ClN4O4S2/c24-22-7-8-23(33-22)34(31,32)27-13-11-25(12-14-27)19-5-6-20(28(29)30)21(15-19)26-10-9-17-3-1-2-4-18(17)16-26/h1-8,15H,9-14,16H2