(2R)-3-methyl-2-(2-phenylethanoylamino)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide

Systemtic Name: (2R)-3-methyl-2-(2-phenylethanoylamino)-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Openeye Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]butanamide CAS Name: (2R)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]butanamide IUPAC Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]butanamide Traditional Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[(5-piperidinosulfonyl-2-thienyl)methyl]butyramide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=C(S1)S(=O)(=O)N2CCCCC2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S2/c1-17(2)22(25-20(27)15-18-9-5-3-6-10-18)23(28)24-16-19-11-12-21(31-19)32(29,30)26-13-7-4-8-14-26/h3,5-6,9-12,17,22H,4,7-8,13-16H2,1-2H3,(H,24,28)(H,25,27)/t22-/m1/s1