2-chloranyl-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-5-piperidinosulfonyl-benzamide Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C18H26ClN3O4S/c1-3-9-20-17(23)13(2)21-18(24)15-12-14(7-8-16(15)19)27(25,26)22-10-5-4-6-11-22/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,20,23)(H,21,24)/t13-/m0/s1