[3-[[di(propan-2-yl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-[[di(propan-2-yl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-[(diisopropylamino)methyl]phenyl]-[4-(2-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-[[di(propan-2-yl)amino]methyl]phenyl]-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [3-[[di(propan-2-yl)amino]methyl]phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-[(diisopropylamino)methyl]phenyl]-[4-(2-naphthylsulfonyl)piperazino]methanone Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(C)C

Isomeric SMILES

CC(C)N(CC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(C)C

InChI

InChI=1S/C28H35N3O3S/c1-21(2)31(22(3)4)20-23-8-7-11-26(18-23)28(32)29-14-16-30(17-15-29)35(33,34)27-13-12-24-9-5-6-10-25(24)19-27/h5-13,18-19,21-22H,14-17,20H2,1-4H3