(2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2R)-2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2R)-2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2R)-2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2R)-2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2R)-2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H24ClN3O5S/c24-19-9-8-16(33(31,32)27-10-4-1-5-11-27)13-18(19)22(28)26-21(23(29)30)12-15-14-25-20-7-3-2-6-17(15)20/h2-3,6-9,13-14,21,25H,1,4-5,10-12H2,(H,26,28)(H,29,30)/t21-/m1/s1