phenyl 4-(4-phenoxysulfonyl-2-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-phenoxysulfonyl-2-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-isopropylsulfonyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-phenoxysulfonyl-2-propan-2-ylsulfonylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-phenoxysulfonyl-2-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(2-isopropylsulfonyl-4-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C25H28N2O8S3 MolecularWeight: 580.69342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O8S3/c1-19(2)36(28,29)24-17-22(37(30,31)34-20-9-5-3-6-10-20)13-14-23(24)27-16-15-26-25(18-27)38(32,33)35-21-11-7-4-8-12-21/h3-14,17,19,25-26H,15-16,18H2,1-2H3