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

Systemtic Name: N-[4-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide IUPAC Name: N-[4-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O3S2/c1-15(22)19-17-7-5-16(6-8-17)14-20-9-3-10-21(12-11-20)26(23,24)18-4-2-13-25-18/h2,4-8,13H,3,9-12,14H2,1H3,(H,19,22)