(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(6-chloro-2H-1-benzopyran-3-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H28ClN3O4S/c23-20-6-7-21-19(16-20)15-18(17-30-21)5-8-22(27)24-11-13-26(14-12-24)31(28,29)25-9-3-1-2-4-10-25/h5-8,15-16H,1-4,9-14,17H2/b8-5+