[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-tert-butylphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-tert-butylphenyl)methanone Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O3S/c1-21(2,3)19-10-8-18(9-11-19)20(25)22-14-16-24(17-15-22)28(26,27)23-12-6-4-5-7-13-23/h8-11H,4-7,12-17H2,1-3H3