[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-propylpiperazin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-(4-propylpiperazin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-propylpiperazin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-chlorophenyl]-(4-propyl-1-piperazinyl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-(4-propylpiperazin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(4-propylpiperazino)methanone Formula: C20H30ClN3O3S MolecularWeight: 427.9885

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C20H30ClN3O3S/c1-2-9-22-12-14-23(15-13-22)20(25)18-16-17(7-8-19(18)21)28(26,27)24-10-5-3-4-6-11-24/h7-8,16H,2-6,9-15H2,1H3