1-(azepan-1-yl)-2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxy-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxy-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(1-piperidylsulfonyl)benzotriazol-1-yl]oxy-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(1-piperidinylsulfonyl)-1-benzotriazolyl]oxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-piperidin-1-ylsulfonylbenzotriazol-1-yl)oxyethanone Traditional Name: 1-(azepan-1-yl)-2-(6-piperidinosulfonylbenzotriazol-1-yl)oxy-ethanone Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)CON2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N=N2

InChI

InChI=1S/C19H27N5O4S/c25-19(22-10-4-1-2-5-11-22)15-28-24-18-14-16(8-9-17(18)20-21-24)29(26,27)23-12-6-3-7-13-23/h8-9,14H,1-7,10-13,15H2