[1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazin-2-yl] N-methylcarbamate

Systemtic Name: [1-[(4-azanylquinolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazin-2-yl] N-methylcarbamate Openeye Name: [1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-oxo-piperazin-2-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [1-[(4-amino-7-quinolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-2-piperazinyl] ester IUPAC Name: [1-[(4-aminoquinolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxopiperazin-2-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [1-[(4-amino-7-quinolyl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-keto-piperazin-2-yl] ester Formula: C24H22ClN5O5S2 MolecularWeight: 560.04498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1CN(CC(=O)N1CC2=CC3=NC=CC(=C3C=C2)N)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

CNC(=O)OC1CN(CC(=O)N1CC2=CC3=NC=CC(=C3C=C2)N)S(=O)(=O)C4=CC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C24H22ClN5O5S2/c1-27-24(32)35-22-13-29(37(33,34)23-9-15-3-4-16(25)10-20(15)36-23)12-21(31)30(22)11-14-2-5-17-18(26)6-7-28-19(17)8-14/h2-10,22H,11-13H2,1H3,(H2,26,28)(H,27,32)