3-(azepan-1-ylsulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]aniline CAS Name: 3-(1-azepanylsulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S2/c24-28(25,23-10-3-1-2-4-11-23)16-8-5-7-15(13-16)20-14-18-21-19(22-26-18)17-9-6-12-27-17/h5-9,12-13,20H,1-4,10-11,14H2