2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-5-nitro-benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H20N4O4S/c20-14-15-12-17(23(24)25)8-9-19(15)21-16-6-5-7-18(13-16)28(26,27)22-10-3-1-2-4-11-22/h5-9,12-13,21H,1-4,10-11H2