(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone CAS Name: [4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4-methoxy-3-pyrrolidinosulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazino]methanone Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)S(=O)(=O)N5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H31N3O4S/c1-34-25-12-11-22(19-26(25)35(32,33)30-13-4-5-14-30)27(31)29-17-15-28(16-18-29)20-23-9-6-8-21-7-2-3-10-24(21)23/h2-3,6-12,19H,4-5,13-18,20H2,1H3