(2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-quinolin-8-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-quinolin-8-ylsulfonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-(8-quinolylsulfonyl)piperazine-2-carboxamide CAS Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-(8-quinolinylsulfonyl)-2-piperazinecarboxamide IUPAC Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide Traditional Name: (2S)-4-(4-tert-butylphenyl)sulfonyl-N-(2-hydroxyethyl)-1-(8-quinolylsulfonyl)piperazine-2-carboxamide Formula: C26H32N4O6S2 MolecularWeight: 560.68548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2)C(=O)NCCO)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN([C@@H](C2)C(=O)NCCO)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H32N4O6S2/c1-26(2,3)20-9-11-21(12-10-20)37(33,34)29-15-16-30(22(18-29)25(32)28-14-17-31)38(35,36)23-8-4-6-19-7-5-13-27-24(19)23/h4-13,22,31H,14-18H2,1-3H3,(H,28,32)/t22-/m0/s1