N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(4-ethylphenyl)methyl]-N-(3-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(4-ethylphenyl)methyl]-N-(3-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(4-ethylbenzyl)-N-(3-pyridylmethyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H29N3O4S2/c1-2-21-7-9-22(10-8-21)19-28(20-23-6-5-15-26-18-23)34(31,32)25-13-11-24(12-14-25)33(29,30)27-16-3-4-17-27/h5-15,18H,2-4,16-17,19-20H2,1H3