N-[4-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]sulfonylphenyl]acetamide Formula: C25H27N5O5S MolecularWeight: 509.57738

Click to see the large picture

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=CC=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=CC=CC=C4

InChI

InChI=1S/C25H27N5O5S/c1-19(31)27-21-7-10-23(11-8-21)36(34,35)29-15-13-28(14-16-29)22-9-12-25(30(32)33)24(17-22)26-18-20-5-3-2-4-6-20/h2-12,17,26H,13-16,18H2,1H3,(H,27,31)