N-[3-[[(2-oxidanyl-3-phenoxy-propyl)amino]-(phenylmethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]methanesulfonamide

Systemtic Name: N-[3-[[(2-oxidanyl-3-phenoxy-propyl)amino]-(phenylmethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]methanesulfonamide Openeye Name: N-[3-[benzyl-[(2-hydroxy-3-phenoxy-propyl)amino]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]methanesulfonamide CAS Name: N-[3-[[(2-hydroxy-3-phenoxypropyl)amino]-(phenylmethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]methanesulfonamide IUPAC Name: N-[3-[benzyl-[(2-hydroxy-3-phenoxypropyl)amino]amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]methanesulfonamide Traditional Name: N-[3-[benzyl-[(2-hydroxy-3-phenoxy-propyl)amino]amino]-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl]methanesulfonamide Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C2CCCCCC2=C1)N(CC3=CC=CC=C3)NCC(COC4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C2CCCCCC2=C1)N(CC3=CC=CC=C3)NCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C28H35N3O4S/c1-36(33,34)30-27-17-23-13-7-3-8-14-24(23)18-28(27)31(20-22-11-5-2-6-12-22)29-19-25(32)21-35-26-15-9-4-10-16-26/h2,4-6,9-12,15-18,25,29-30,32H,3,7-8,13-14,19-21H2,1H3