[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H26ClN3O5S3 MolecularWeight: 532.09624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H26ClN3O5S3/c22-18-8-7-17(16-19(18)32(27,28)24-9-3-1-2-4-10-24)21(26)23-11-13-25(14-12-23)33(29,30)20-6-5-15-31-20/h5-8,15-16H,1-4,9-14H2