2-(azepan-1-ylsulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-nitro-aniline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-nitro-aniline Openeye Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-(4-chlorophenyl)methyleneamino]-4-nitro-aniline CAS Name: 2-(1-azepanylsulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-nitroaniline IUPAC Name: 2-(azepan-1-ylsulfonyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-nitroaniline Traditional Name: [2-(azepan-1-ylsulfonyl)-4-nitro-phenyl]-[(Z)-(4-chlorobenzylidene)amino]amine Formula: C19H21ClN4O4S MolecularWeight: 436.91244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O4S/c20-16-7-5-15(6-8-16)14-21-22-18-10-9-17(24(25)26)13-19(18)29(27,28)23-11-3-1-2-4-12-23/h5-10,13-14,22H,1-4,11-12H2/b21-14-