(2S)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4,5,6,7-tetrahydroanthranil-3-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NOC(=C2C1)NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCC2=NOC(=C2C1)NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H19N3O4S2/c20-15(17-16-11-5-1-2-6-12(11)18-23-16)13-7-3-9-19(13)25(21,22)14-8-4-10-24-14/h4,8,10,13H,1-3,5-7,9H2,(H,17,20)/t13-/m0/s1