N-[4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide CAS Name: N-[4-[[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[(4-benzylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-18(25)22-21-10-8-19(9-11-21)16-23-12-5-13-24(15-14-23)28(26,27)17-20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)