6-chloranyl-N-[3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]-3-thiomorpholin-4-yl-propyl]naphthalene-2-sulfonamide

Systemtic Name: 6-chloranyl-N-[3-oxidanylidene-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]-3-thiomorpholin-4-yl-propyl]naphthalene-2-sulfonamide Openeye Name: 6-chloro-N-[3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]-3-thiomorpholino-propyl]naphthalene-2-sulfonamide CAS Name: 6-chloro-N-[3-oxo-2-[(1-pyridin-4-yl-4-piperidinyl)methylamino]-3-thiomorpholin-4-ylpropyl]-2-naphthalenesulfonamide IUPAC Name: 6-chloro-N-[3-oxo-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]-3-thiomorpholin-4-ylpropyl]naphthalene-2-sulfonamide Traditional Name: 6-chloro-N-[3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]-3-thiomorpholino-propyl]naphthalene-2-sulfonamide Formula: C28H34ClN5O3S2 MolecularWeight: 588.18426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(CNS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)N4CCSCC4)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CNC(CNS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)N4CCSCC4)C5=CC=NC=C5

InChI

InChI=1S/C28H34ClN5O3S2/c29-24-3-1-23-18-26(4-2-22(23)17-24)39(36,37)32-20-27(28(35)34-13-15-38-16-14-34)31-19-21-7-11-33(12-8-21)25-5-9-30-10-6-25/h1-6,9-10,17-18,21,27,31-32H,7-8,11-16,19-20H2