4-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carbaldehyde Openeye Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazine-1-carbaldehyde CAS Name: 4-[[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carbaldehyde Traditional Name: 4-(4-methyl-3-pyrrolidinosulfonyl-benzoyl)piperazine-1-carbaldehyde Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H23N3O4S/c1-14-4-5-15(17(22)19-10-8-18(13-21)9-11-19)12-16(14)25(23,24)20-6-2-3-7-20/h4-5,12-13H,2-3,6-11H2,1H3