(2R)-2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(2-chloro-5-piperidinosulfonyl-phenyl)propionamide Formula: C20H31ClN3O3S+ MolecularWeight: 428.99644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)[NH+]3CCCCCC3

InChI

InChI=1S/C20H30ClN3O3S/c1-16(23-11-5-2-3-6-12-23)20(25)22-19-15-17(9-10-18(19)21)28(26,27)24-13-7-4-8-14-24/h9-10,15-16H,2-8,11-14H2,1H3,(H,22,25)/p+1/t16-/m1/s1