N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (2-ethoxy-3-pyridyl)methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5S/c1-3-29-19-15(5-4-8-20-19)14-21-17-7-6-16(13-18(17)24(25)26)30(27,28)23-11-9-22(2)10-12-23/h4-8,13,21H,3,9-12,14H2,1-2H3