4-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methyl]benzonitrile CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-methoxyanilino]methyl]benzonitrile IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]methyl]benzonitrile Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]methyl]benzonitrile Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O3S/c1-27-21-11-10-19(28(25,26)24-12-4-2-3-5-13-24)14-20(21)23-16-18-8-6-17(15-22)7-9-18/h6-11,14,23H,2-5,12-13,16H2,1H3