4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[(3-chlorophenyl)methyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(3-chlorobenzyl)amine Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O4S/c20-16-7-5-6-15(12-16)14-21-18-9-8-17(13-19(18)23(24)25)28(26,27)22-10-3-1-2-4-11-22/h5-9,12-13,21H,1-4,10-11,14H2