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4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid

Systemtic Name:4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid
Openeye Name:4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid
CAS Name:4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]-1-piperazinecarboxylic acid
IUPAC Name:4-[4-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid
Traditional Name:4-[4-[3-(dimesylamino)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-8-yl]piperazine-1-carboxylic acid
Formula: C21H26N4O9S3
MolecularWeight: 574.64754
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1=CC(=CC=C1)S(=O)(=O)N2CCOC3=C(C=CC=C32)N4CCN(CC4)C(=O)O)S(=O)(=O)C


Isomeric SMILES

CS(=O)(=O)N(C1=CC(=CC=C1)S(=O)(=O)N2CCOC3=C(C=CC=C32)N4CCN(CC4)C(=O)O)S(=O)(=O)C


InChI

InChI=1S/C21H26N4O9S3/c1-35(28,29)25(36(2,30)31)16-5-3-6-17(15-16)37(32,33)24-13-14-34-20-18(7-4-8-19(20)24)22-9-11-23(12-10-22)21(26)27/h3-8,15H,9-14H2,1-2H3,(H,26,27)


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