azepan-1-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone

Systemtic Name: azepan-1-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Openeye Name: azepan-1-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone CAS Name: 1-azepanyl-[3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]methanone IUPAC Name: azepan-1-yl-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone Traditional Name: azepan-1-yl-[3-(4-phenylpiperazino)sulfonylphenyl]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c27-23(25-13-6-1-2-7-14-25)20-9-8-12-22(19-20)30(28,29)26-17-15-24(16-18-26)21-10-4-3-5-11-21/h3-5,8-12,19H,1-2,6-7,13-18H2