(2-ethylphenyl)-[2-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methylamino]-1,3-thiazol-5-yl]methanone

Systemtic Name: (2-ethylphenyl)-[2-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methylamino]-1,3-thiazol-5-yl]methanone Openeye Name: (2-ethylphenyl)-[2-[[(2S)-1-(2-thienylsulfonyl)pyrrolidin-2-yl]methylamino]thiazol-5-yl]methanone CAS Name: (2-ethylphenyl)-[2-[[(2S)-1-thiophen-2-ylsulfonyl-2-pyrrolidinyl]methylamino]-5-thiazolyl]methanone IUPAC Name: (2-ethylphenyl)-[2-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methylamino]-1,3-thiazol-5-yl]methanone Traditional Name: (2-ethylphenyl)-[2-[[(2S)-1-(2-thienylsulfonyl)pyrrolidin-2-yl]methylamino]thiazol-5-yl]methanone Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NCC3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=CC=C1C(=O)C2=CN=C(S2)NC[C@@H]3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S3/c1-2-15-7-3-4-9-17(15)20(25)18-14-23-21(29-18)22-13-16-8-5-11-24(16)30(26,27)19-10-6-12-28-19/h3-4,6-7,9-10,12,14,16H,2,5,8,11,13H2,1H3,(H,22,23)/t16-/m0/s1