3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-(1-azanylethenylamino)propyl]-4-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[3-(1-aminovinylamino)propyl]-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(1-aminoethenylamino)propyl]-1-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(1-aminoethenylamino)propyl]-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[3-(1-aminovinylamino)propyl]-1-(4-besylpiperazine-1-carbonyl)-4-keto-azetidine-2-carboxylic acid Formula: C20H27N5O6S MolecularWeight: 465.52328

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Descriptors Computed from Structure

Canonical SMILES:

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=C(N)NCCCC1C(N(C1=O)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H27N5O6S/c1-14(21)22-9-5-8-16-17(19(27)28)25(18(16)26)20(29)23-10-12-24(13-11-23)32(30,31)15-6-3-2-4-7-15/h2-4,6-7,16-17,22H,1,5,8-13,21H2,(H,27,28)