2-(azepan-1-ylsulfonyl)-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]aniline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]aniline Openeye Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(E)-2-thienylmethyleneamino]aniline CAS Name: 2-(1-azepanylsulfonyl)-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]aniline IUPAC Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(E)-thiophen-2-ylmethylideneamino]aniline Traditional Name: [2-(azepan-1-ylsulfonyl)-4-nitro-phenyl]-[(E)-2-thenylideneamino]amine Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NN=CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N/N=C/C3=CC=CS3

InChI

InChI=1S/C17H20N4O4S2/c22-21(23)14-7-8-16(19-18-13-15-6-5-11-26-15)17(12-14)27(24,25)20-9-3-1-2-4-10-20/h5-8,11-13,19H,1-4,9-10H2/b18-13+