4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[3-(2-pyrazinyloxy)phenyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(3-pyrazin-2-yloxyphenyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-pyrazin-2-yloxyphenyl)amine Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC=C3)OC4=NC=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC(=CC=C3)OC4=NC=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c28-27(29)21-15-19(33(30,31)26-12-3-1-2-4-13-26)8-9-20(21)25-17-6-5-7-18(14-17)32-22-16-23-10-11-24-22/h5-11,14-16,25H,1-4,12-13H2