2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline

Systemtic Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline Openeye Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-4-pyridylmethyleneamino]aniline CAS Name: 2-(1-azepanylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline IUPAC Name: 2-(azepan-1-ylsulfonyl)-4-nitro-N-[(Z)-pyridin-4-ylmethylideneamino]aniline Traditional Name: [2-(azepan-1-ylsulfonyl)-4-nitro-phenyl]-[(Z)-4-pyridylmethyleneamino]amine Formula: C18H21N5O4S MolecularWeight: 403.45544

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c24-23(25)16-5-6-17(21-20-14-15-7-9-19-10-8-15)18(13-16)28(26,27)22-11-3-1-2-4-12-22/h5-10,13-14,21H,1-4,11-12H2/b20-14-