N-butyl-3-[3-[butyl(2-sulfanylethyl)amino]propyl-(phenylsulfonyl)amino]propanamide

Systemtic Name: N-butyl-3-[3-[butyl(2-sulfanylethyl)amino]propyl-(phenylsulfonyl)amino]propanamide Openeye Name: 3-[benzenesulfonyl-[3-[butyl(2-sulfanylethyl)amino]propyl]amino]-N-butyl-propanamide CAS Name: 3-[benzenesulfonyl-[3-[butyl(2-mercaptoethyl)amino]propyl]amino]-N-butylpropanamide IUPAC Name: 3-[benzenesulfonyl-[3-[butyl(2-sulfanylethyl)amino]propyl]amino]-N-butylpropanamide Traditional Name: 3-[besyl-[3-[butyl(2-mercaptoethyl)amino]propyl]amino]-N-butyl-propionamide Formula: C22H39N3O3S2 MolecularWeight: 457.69336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCN(CCCN(CCCC)CCS)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)CCN(CCCN(CCCC)CCS)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H39N3O3S2/c1-3-5-14-23-22(26)13-18-25(30(27,28)21-11-8-7-9-12-21)17-10-16-24(19-20-29)15-6-4-2/h7-9,11-12,29H,3-6,10,13-20H2,1-2H3,(H,23,26)