4-(azepan-1-ylsulfonyl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-(phenylmethyl)aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-benzyl-amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c23-22(24)19-14-17(27(25,26)21-12-6-1-2-7-13-21)10-11-18(19)20-15-16-8-4-3-5-9-16/h3-5,8-11,14,20H,1-2,6-7,12-13,15H2