(3S)-3-(aminocarbonylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-phenyl-propanamide

Systemtic Name: (3S)-3-(aminocarbonylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-phenyl-propanamide Openeye Name: (3S)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-phenyl-3-ureido-propanamide CAS Name: (3S)-3-(carbamoylamino)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-phenylpropanamide IUPAC Name: (3S)-3-(carbamoylamino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-phenylpropanamide Traditional Name: (3S)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-phenyl-3-ureido-propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H28N4O5S/c1-31-20-11-10-17(32(29,30)26-12-6-3-7-13-26)14-19(20)24-21(27)15-18(25-22(23)28)16-8-4-2-5-9-16/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,24,27)(H3,23,25,28)/t18-/m0/s1