4-(azepan-1-ylsulfonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-imidazo[1,2-a]pyridin-2-ylethyl)amine Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CN4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c27-26(28)20-15-18(31(29,30)25-13-4-1-2-5-14-25)8-9-19(20)22-11-10-17-16-24-12-6-3-7-21(24)23-17/h3,6-9,12,15-16,22H,1-2,4-5,10-11,13-14H2