2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3CCCN(CC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C20H23N5O3S/c1-23-12-13-28-19-14-17(5-6-18(19)23)29(26,27)25-9-3-8-24(10-11-25)20-16(15-21)4-2-7-22-20/h2,4-7,14H,3,8-13H2,1H3