N-[3-[(2S)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[3-[(2S)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanyl-propoxy]phenyl]thiophene-2-sulfonamide Openeye Name: N-[3-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]thiophene-2-sulfonamide CAS Name: N-[3-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]propoxy]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[3-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propoxy]phenyl]thiophene-2-sulfonamide Traditional Name: N-[3-[(2S)-2-hydroxy-3-[4-(4-methoxyphenyl)sulfonylpiperazino]propoxy]phenyl]thiophene-2-sulfonamide Formula: C24H29N3O7S3 MolecularWeight: 567.69796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(COC3=CC=CC(=C3)NS(=O)(=O)C4=CC=CS4)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@@H](COC3=CC=CC(=C3)NS(=O)(=O)C4=CC=CS4)O

InChI

InChI=1S/C24H29N3O7S3/c1-33-21-7-9-23(10-8-21)37(31,32)27-13-11-26(12-14-27)17-20(28)18-34-22-5-2-4-19(16-22)25-36(29,30)24-6-3-15-35-24/h2-10,15-16,20,25,28H,11-14,17-18H2,1H3/t20-/m0/s1