N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(E)-(1-methylpyrrol-2-yl)methyleneamino]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[(E)-(1-methyl-2-pyrrolyl)methylideneamino]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [(E)-(1-methylpyrrol-2-yl)methyleneamino]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=CC=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H19N5O5S/c1-19-6-2-3-14(19)12-17-18-15-5-4-13(21(22)23)11-16(15)27(24,25)20-7-9-26-10-8-20/h2-6,11-12,18H,7-10H2,1H3/b17-12+