[2-(3-methoxypiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamic acid

Systemtic Name: [2-(3-methoxypiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamic acid Openeye Name: [4-isopropylsulfonyl-2-(3-methoxypiperazin-1-yl)phenyl]sulfamic acid CAS Name: [2-(3-methoxy-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-methoxypiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamic acid Traditional Name: [4-isopropylsulfonyl-2-(3-methoxypiperazino)phenyl]sulfamic acid Formula: C14H23N3O6S2 MolecularWeight: 393.47892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)OC

InChI

InChI=1S/C14H23N3O6S2/c1-10(2)24(18,19)11-4-5-12(16-25(20,21)22)13(8-11)17-7-6-15-14(9-17)23-3/h4-5,8,10,14-16H,6-7,9H2,1-3H3,(H,20,21,22)