(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dihydrobenzofuran-5-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2,3-dihydrobenzofuran-5-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-coumaran-5-yl-prop-2-en-1-one Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H29N3O4S/c25-21(8-6-18-5-7-20-19(17-18)9-16-28-20)22-12-14-24(15-13-22)29(26,27)23-10-3-1-2-4-11-23/h5-8,17H,1-4,9-16H2/b8-6+