4-morpholin-4-ylsulfonyl-2-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[2-(4-pyrazol-1-ylphenyl)ethyl]amine Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O5S/c27-26(28)21-16-19(32(29,30)24-12-14-31-15-13-24)6-7-20(21)22-10-8-17-2-4-18(5-3-17)25-11-1-9-23-25/h1-7,9,11,16,22H,8,10,12-15H2