N-[1-(4-butoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(4-butoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[1-(4-butoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide CAS Name: N-[1-(4-butoxyphenyl)ethyl]-1-(1-pyrrolidinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[1-(4-butoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[1-(4-butoxyphenyl)ethyl]-1-pyrrolidinosulfonyl-nipecotamide Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C)NC(=O)C2CCCN(C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H35N3O4S/c1-3-4-16-29-21-11-9-19(10-12-21)18(2)23-22(26)20-8-7-15-25(17-20)30(27,28)24-13-5-6-14-24/h9-12,18,20H,3-8,13-17H2,1-2H3,(H,23,26)