3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide

Systemtic Name: 3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-[(3S)-2-oxidanylideneazepan-3-yl]benzamide Openeye Name: 3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]-N-[(3S)-2-oxoazepan-3-yl]benzamide CAS Name: 3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]-N-[(3S)-2-oxo-3-azepanyl]benzamide IUPAC Name: 3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-[(3S)-2-oxoazepan-3-yl]benzamide Traditional Name: 3-chloro-N-[(3S)-2-ketoazepan-3-yl]-4-[(1-mesyl-4-piperidyl)oxy]benzamide Formula: C19H26ClN3O5S MolecularWeight: 443.94484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCCCNC3=O)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N[C@H]3CCCCNC3=O)Cl

InChI

InChI=1S/C19H26ClN3O5S/c1-29(26,27)23-10-7-14(8-11-23)28-17-6-5-13(12-15(17)20)18(24)22-16-4-2-3-9-21-19(16)25/h5-6,12,14,16H,2-4,7-11H2,1H3,(H,21,25)(H,22,24)/t16-/m0/s1