N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-15(2)14-25-16(3)11-18(17(25)4)13-22-23-20-6-5-19(12-21(20)26(27)28)32(29,30)24-7-9-31-10-8-24/h5-6,11-13,15,23H,7-10,14H2,1-4H3