4-(azepan-1-ylsulfonyl)-2-nitro-N-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[2-[1-(phenylmethyl)imidazol-2-yl]ethyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1-benzylimidazol-2-yl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[2-[1-(phenylmethyl)-2-imidazolyl]ethyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(1-benzylimidazol-2-yl)ethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(1-benzylimidazol-2-yl)ethyl]amine Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=NC=CN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O4S/c30-29(31)23-18-21(34(32,33)28-15-6-1-2-7-16-28)10-11-22(23)25-13-12-24-26-14-17-27(24)19-20-8-4-3-5-9-20/h3-5,8-11,14,17-18,25H,1-2,6-7,12-13,15-16,19H2