N-[4-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[4-nitro-3-(propan-2-ylamino)phenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[4-nitro-3-(propan-2-ylamino)phenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(isopropylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5S/c1-15(2)22-20-14-18(6-9-21(20)26(28)29)24-10-12-25(13-11-24)32(30,31)19-7-4-17(5-8-19)23-16(3)27/h4-9,14-15,22H,10-13H2,1-3H3,(H,23,27)