3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-[1-(3-pyridyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-[1-(3-pyridinyl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-(1-pyridin-3-ylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N-methyl-N-[1-(3-pyridyl)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N(C)C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C1=CN=CC=C1)N(C)C(=O)C2=CC(=CC(=C2)S(=O)(=O)N3CCCC3)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C28H32N4O5S/c1-20(22-6-5-9-29-19-22)31(2)28(33)23-15-24(17-25(16-23)38(34,35)32-10-3-4-11-32)30-18-21-7-8-26-27(14-21)37-13-12-36-26/h5-9,14-17,19-20,30H,3-4,10-13,18H2,1-2H3