4-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(1-imidazolyl)propyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-imidazol-1-ylpropyl)amine Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S/c24-23(25)18-14-16(28(26,27)22-11-3-1-2-4-12-22)6-7-17(18)20-8-5-10-21-13-9-19-15-21/h6-7,9,13-15,20H,1-5,8,10-12H2