(2S)-N-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-N-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]propanamide CAS Name: (2S)-N-propyl-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]propanamide IUPAC Name: (2S)-N-propyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-propyl-2-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]propionamide Formula: C16H25N3O5S2 MolecularWeight: 403.5168

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCNC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H25N3O5S2/c1-3-10-17-16(20)13(2)18-25(21,22)14-6-8-15(9-7-14)26(23,24)19-11-4-5-12-19/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,17,20)/t13-/m0/s1