[4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazin-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylpiperazin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazin-1-yl]-cyclopropyl-methanone CAS Name: [4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1-piperazinyl]-cyclopropylmethanone IUPAC Name: [4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]piperazin-1-yl]-cyclopropylmethanone Traditional Name: [4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]piperazino]-cyclopropyl-methanone Formula: C21H28ClN3O4S MolecularWeight: 453.98272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4CC4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4CC4)Cl

InChI

InChI=1S/C21H28ClN3O4S/c22-18-8-7-17(15-19(18)30(28,29)25-9-3-1-2-4-10-25)21(27)24-13-11-23(12-14-24)20(26)16-5-6-16/h7-8,15-16H,1-6,9-14H2