azepan-1-yl-[(2R)-1,4-bis(phenylsulfonyl)piperazin-2-yl]methanone

Systemtic Name: azepan-1-yl-[(2R)-1,4-bis(phenylsulfonyl)piperazin-2-yl]methanone Openeye Name: azepan-1-yl-[(2R)-1,4-bis(benzenesulfonyl)piperazin-2-yl]methanone CAS Name: 1-azepanyl-[(2R)-1,4-bis(benzenesulfonyl)-2-piperazinyl]methanone IUPAC Name: azepan-1-yl-[(2R)-1,4-bis(benzenesulfonyl)piperazin-2-yl]methanone Traditional Name: azepan-1-yl-[(2R)-1,4-dibesylpiperazin-2-yl]methanone Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CN(CCN2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O5S2/c27-23(24-15-9-1-2-10-16-24)22-19-25(32(28,29)20-11-5-3-6-12-20)17-18-26(22)33(30,31)21-13-7-4-8-14-21/h3-8,11-14,22H,1-2,9-10,15-19H2/t22-/m1/s1