N-[4-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide CAS Name: N-[4-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-phenylethenylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[(4-styrylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-19(26)23-22-10-8-21(9-11-22)18-24-13-5-14-25(16-15-24)29(27,28)17-12-20-6-3-2-4-7-20/h2-4,6-12,17H,5,13-16,18H2,1H3,(H,23,26)