N-[4-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[4-nitro-3-(3-pyridinylmethylamino)phenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[4-nitro-3-(pyridin-3-ylmethylamino)phenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[4-nitro-3-(3-pyridylmethylamino)phenyl]piperazino]sulfonylphenyl]acetamide Formula: C24H26N6O5S MolecularWeight: 510.56544

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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-])NCC4=CN=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C24H26N6O5S/c1-18(31)27-20-4-7-22(8-5-20)36(34,35)29-13-11-28(12-14-29)21-6-9-24(30(32)33)23(15-21)26-17-19-3-2-10-25-16-19/h2-10,15-16,26H,11-14,17H2,1H3,(H,27,31)