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

Systemtic Name: N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[benzyl(isopropyl)amino]ethyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-(1-pyrrolidinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[benzyl(propan-2-yl)amino]ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[benzyl(isopropyl)amino]ethyl]-1-pyrrolidinosulfonyl-nipecotamide Formula: C22H36N4O3S MolecularWeight: 436.61124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCNC(=O)C1CCCN(C1)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H36N4O3S/c1-19(2)24(17-20-9-4-3-5-10-20)16-12-23-22(27)21-11-8-15-26(18-21)30(28,29)25-13-6-7-14-25/h3-5,9-10,19,21H,6-8,11-18H2,1-2H3,(H,23,27)