[4-(azepan-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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