N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[benzyl(isopropyl)amino]ethyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[benzyl(isopropyl)amino]ethyl]-1-propylsulfonyl-nipecotamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCCN(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H35N3O3S/c1-4-15-28(26,27)24-13-8-11-20(17-24)21(25)22-12-14-23(18(2)3)16-19-9-6-5-7-10-19/h5-7,9-10,18,20H,4,8,11-17H2,1-3H3,(H,22,25)