(2S)-2-[(4-benzamidophenyl)methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonyl-propanediamide

Systemtic Name: (2S)-2-[(4-benzamidophenyl)methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonyl-propanediamide Openeye Name: (2S)-2-[(4-benzamidophenyl)methyl]-N,N-diethyl-N'-(2-naphthylsulfonyl)propanediamide CAS Name: (2S)-2-[(4-benzamidophenyl)methyl]-N,N-diethyl-N'-(2-naphthalenylsulfonyl)propanediamide IUPAC Name: (2S)-2-[(4-benzamidophenyl)methyl]-N,N-diethyl-N'-naphthalen-2-ylsulfonylpropanediamide Traditional Name: (2S)-2-(4-benzamidobenzyl)-N,N-diethyl-N'-(2-naphthylsulfonyl)malonamide Formula: C31H31N3O5S MolecularWeight: 557.65994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC)C(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C31H31N3O5S/c1-3-34(4-2)31(37)28(20-22-14-17-26(18-15-22)32-29(35)24-11-6-5-7-12-24)30(36)33-40(38,39)27-19-16-23-10-8-9-13-25(23)21-27/h5-19,21,28H,3-4,20H2,1-2H3,(H,32,35)(H,33,36)/t28-/m1/s1