N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H23N3O4S/c1-3-17-15(20)12(2)18-16(21)13-6-8-14(9-7-13)24(22,23)19-10-4-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1