(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide

Systemtic Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C22H31N3O4S2 MolecularWeight: 465.62924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CS1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(C1=CC=CS1)N2CCCC2)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H31N3O4S2/c1-16(2)21(24-31(27,28)18-10-8-17(29-3)9-11-18)22(26)23-15-19(20-7-6-14-30-20)25-12-4-5-13-25/h6-11,14,16,19,21,24H,4-5,12-13,15H2,1-3H3,(H,23,26)/t19?,21-/m0/s1