N-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]phenyl]butane-1-sulfonamide

Systemtic Name: N-[3-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]phenyl]butane-1-sulfonamide Openeye Name: N-[3-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]phenyl]butane-1-sulfonamide CAS Name: N-[3-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]phenyl]-1-butanesulfonamide IUPAC Name: N-[3-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]phenyl]butane-1-sulfonamide Traditional Name: N-[3-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]phenyl]butane-1-sulfonamide Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=CC=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C28H35N3O4S/c1-3-4-17-36(32,33)30-23-10-7-11-24(18-23)31(21-22-9-8-16-29-20-22)25-14-15-27(34-2)28(19-25)35-26-12-5-6-13-26/h7-11,14-16,18-20,26,30H,3-6,12-13,17,21H2,1-2H3