1-[4-[(2S)-2-oxidanyl-3-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)propoxy]phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)propoxy]phenyl]ethanone Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]propoxy]phenyl]ethanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[4-(2-thenoyl)-1,4-diazepan-1-yl]propoxy]phenyl]ethanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2CCCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@H](CN2CCCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H26N2O4S/c1-16(24)17-5-7-19(8-6-17)27-15-18(25)14-22-9-3-10-23(12-11-22)21(26)20-4-2-13-28-20/h2,4-8,13,18,25H,3,9-12,14-15H2,1H3/t18-/m0/s1