4-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(1-azepanylsulfonyl)anilino]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[4-(azepan-1-ylsulfonyl)anilino]acetyl]-1,3-dihydroquinoxalin-2-one Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)N3CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O4S/c27-21-16-26(20-8-4-3-7-19(20)24-21)22(28)15-23-17-9-11-18(12-10-17)31(29,30)25-13-5-1-2-6-14-25/h3-4,7-12,23H,1-2,5-6,13-16H2,(H,24,27)