6-bromanyl-N-[[(3S)-1-[1-(phenylcarbonyl)piperidin-4-yl]carbonylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

Systemtic Name: 6-bromanyl-N-[[(3S)-1-[1-(phenylcarbonyl)piperidin-4-yl]carbonylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide Openeye Name: N-[[(3S)-1-(1-benzoylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-6-bromo-naphthalene-2-sulfonamide CAS Name: N-[[(3S)-1-[(1-benzoyl-4-piperidinyl)-oxomethyl]-3-pyrrolidinyl]methyl]-6-bromo-2-naphthalenesulfonamide IUPAC Name: N-[[(3S)-1-(1-benzoylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]-6-bromonaphthalene-2-sulfonamide Traditional Name: N-[[(3S)-1-(1-benzoylisonipecotoyl)pyrrolidin-3-yl]methyl]-6-bromo-naphthalene-2-sulfonamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC(C2)CNS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Br)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(C[C@H]1CNS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br)C(=O)C4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30BrN3O4S/c29-25-8-6-24-17-26(9-7-23(24)16-25)37(35,36)30-18-20-10-13-32(19-20)28(34)22-11-14-31(15-12-22)27(33)21-4-2-1-3-5-21/h1-9,16-17,20,22,30H,10-15,18-19H2/t20-/m1/s1