1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-4-methyl-2-naphthalen-2-ylsulfonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]-4-methyl-2-naphthalen-2-ylsulfonyl-piperidine-2-carboxylic acid Openeye Name: 1-(2,4-diamino-4-oxo-butanoyl)-4-methyl-2-(2-naphthylsulfonyl)piperidine-2-carboxylic acid CAS Name: 1-(2,4-diamino-1,4-dioxobutyl)-4-methyl-2-(2-naphthalenylsulfonyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2,4-diamino-4-oxobutanoyl)-4-methyl-2-naphthalen-2-ylsulfonylpiperidine-2-carboxylic acid Traditional Name: 1-(2,4-diamino-4-keto-butanoyl)-4-methyl-2-(2-naphthylsulfonyl)pipecolinic acid Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(=O)N)N

Isomeric SMILES

CC1CCN(C(C1)(C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)C(CC(=O)N)N

InChI

InChI=1S/C21H25N3O6S/c1-13-8-9-24(19(26)17(22)11-18(23)25)21(12-13,20(27)28)31(29,30)16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10,13,17H,8-9,11-12,22H2,1H3,(H2,23,25)(H,27,28)