2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H31N5O6S/c27-20(23-21(28)22-17-5-6-18-19(15-17)32-14-13-31-18)16-24-9-11-26(12-10-24)33(29,30)25-7-3-1-2-4-8-25/h5-6,15H,1-4,7-14,16H2,(H2,22,23,27,28)