(2S)-2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-16(31-22-25-20(15-27(22)23)17-7-3-2-4-8-17)21(28)24-18-9-11-19(12-10-18)32(29,30)26-13-5-6-14-26/h2-4,7-12,15-16H,5-6,13-14,23H2,1H3,(H,24,28)/t16-/m0/s1