2-azanyl-2-[2-[(4-bromophenyl)carbonylamino]phenyl]sulfonyl-6-methoxy-hex-4-ynoic acid

Systemtic Name: 2-azanyl-2-[2-[(4-bromophenyl)carbonylamino]phenyl]sulfonyl-6-methoxy-hex-4-ynoic acid Openeye Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-methoxy-hex-4-ynoic acid CAS Name: 2-amino-2-[2-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonyl-6-methoxy-4-hexynoic acid IUPAC Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-methoxyhex-4-ynoic acid Traditional Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-methoxy-hex-4-ynoic acid Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)O)(N)S(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COCC#CCC(C(=O)O)(N)S(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H19BrN2O6S/c1-29-13-5-4-12-20(22,19(25)26)30(27,28)17-7-3-2-6-16(17)23-18(24)14-8-10-15(21)11-9-14/h2-3,6-11H,12-13,22H2,1H3,(H,23,24)(H,25,26)