[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloranyl-1-adamantyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloranyl-1-adamantyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-1-adamantyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-chloro-1-adamantyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-chloro-1-adamantyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-chloro-1-adamantyl)methanone Formula: C21H34ClN3O3S MolecularWeight: 444.03096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H34ClN3O3S/c22-21-14-17-11-18(15-21)13-20(12-17,16-21)19(26)23-7-9-25(10-8-23)29(27,28)24-5-3-1-2-4-6-24/h17-18H,1-16H2