N-[2-methyl-5-(4-phenethylpiperazin-1-yl)carbonyl-phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[2-methyl-5-(4-phenethylpiperazin-1-yl)carbonyl-phenyl]naphthalene-2-sulfonamide Openeye Name: N-[2-methyl-5-(4-phenethylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide CAS Name: N-[2-methyl-5-[oxo-(4-phenethyl-1-piperazinyl)methyl]phenyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-methyl-5-(4-phenethylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide Traditional Name: N-[2-methyl-5-(4-phenethylpiperazine-1-carbonyl)phenyl]naphthalene-2-sulfonamide Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H31N3O3S/c1-23-11-12-27(30(34)33-19-17-32(18-20-33)16-15-24-7-3-2-4-8-24)22-29(23)31-37(35,36)28-14-13-25-9-5-6-10-26(25)21-28/h2-14,21-22,31H,15-20H2,1H3