4-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[1-(3-phenylpropylsulfonyl)nipecotoyl]piperazine-1-carbaldehyde Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)N3CCN(CC3)C=O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C20H29N3O4S/c24-17-21-11-13-22(14-12-21)20(25)19-9-4-10-23(16-19)28(26,27)15-5-8-18-6-2-1-3-7-18/h1-3,6-7,17,19H,4-5,8-16H2