2-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethylamino]pyridine-3-carbonitrile

Systemtic Name: 2-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethylamino]pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethylamino]pyridine-3-carbonitrile CAS Name: 2-[2-[4-(1-azepanylsulfonyl)-2-nitroanilino]ethylamino]-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]ethylamino]pyridine-3-carbonitrile Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethylamino]nicotinonitrile Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=C(C=CC=N3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCNC3=C(C=CC=N3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c21-15-16-6-5-9-23-20(16)24-11-10-22-18-8-7-17(14-19(18)26(27)28)31(29,30)25-12-3-1-2-4-13-25/h5-9,14,22H,1-4,10-13H2,(H,23,24)